N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C18H19N3O3S — CID 51123921

About N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 51123921) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 51123921
• Molecular Formula: C18H19N3O3S
• Molecular Weight: 357.44 g/mol
• Exact Mass: 357.11
• IUPAC Name: N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: O=C(NCCOc1ccc2c(c1)CCC2)c1cnc2n(c1=O)CCS2
• InChI: InChI=1S/C18H19N3O3S/c22-16(15-11-20-18-21(17(15)23)7-9-25-18)19-6-8-24-14-5-4-12-2-1-3-13(12)10-14/h4-5,10-11H,1-3,6-9H2,(H,19,22)
• InChIKey: YUONKZUNGZSCFI-UHFFFAOYSA-N
• XLogP: 1.65
• TPSA: 73.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.44
LogP ≤ 5	1.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 51123921) is N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

What is the SMILES notation for N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The canonical SMILES for N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NCCOc1ccc2c(c1)CCC2)c1cnc2n(c1=O)CCS2.

What is the InChIKey of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The InChIKey is YUONKZUNGZSCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c22-16(15-11-20-18-21(17(15)23)7-9-25-18)19-6-8-24-14-5-4-12-2-1-3-13(12)10-14/h4-5,10-11H,1-3,6-9H2,(H,19,22).

What are the key properties of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 51123921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).